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CHEBI:92023 - 4-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acid

ChEBI IDCHEBI:92023
ChEBI Name4-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acid
Stars
DownloadsMolfile
FormulaC16H15N5O3S
Net Charge0
Average Mass357.395
Monoisotopic Mass357.08956
SMILESO=C(O)c1ccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)cc1
InChIInChI=1S/C16H15N5O3S/c22-13-9-12(20-7-5-17-6-8-20)18-16-21(13)19-14(25-16)10-1-3-11(4-2-10)15(23)24/h1-4,9,17H,5-8H2,(H,23,24)
InChIKeyMIENEUCYIXGSHE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acid (CHEBI:92023) is a N-arylpiperazine (CHEBI:46848)
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